(4-nitrophenyl)methyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate

Systemtic Name: (4-nitrophenyl)methyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Openeye Name: (4-nitrophenyl)methyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]butyric acid (4-nitrobenzyl) ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O6S/c1-14-5-10-18(12-15(14)2)28(25,26)20-11-3-4-19(22)27-13-16-6-8-17(9-7-16)21(23)24/h5-10,12,20H,3-4,11,13H2,1-2H3